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Renner-Teller effects in HCO+ dissociative recombination
KTH, School of Biotechnology (BIO), Theoretical Chemistry (closed 20110512).
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2006 (English)In: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 74, no 3, 032707- p.Article in journal (Refereed) Published
Abstract [en]

A theoretical description of the dissociative recombination process for the HCO+ ion suggests that the nonadiabatic Renner-Teller coupling between electronic and vibrational degrees of freedom plays an important role. This finding is consistent with a recent study of this process for another closed-shell molecule, the H-3(+) ion, where Jahn-Teller coupling was shown to generate a relatively high rate. The cross section obtained here for the dissociative recombination of HCO+ exhibits encouraging agreement with a merged-beam experiment.

Place, publisher, year, edition, pages
2006. Vol. 74, no 3, 032707- p.
Keyword [en]
ELECTRON-ION RECOMBINATION, TEMPERATURE-DEPENDENCE, TRIATOMIC-MOLECULES, ENERGY-LEVELS, H-3(+), COEFFICIENTS, MECHANISMS, DEGENERATE, COLLISIONS, STATES
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Physical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-37625DOI: 10.1103/PhysRevA.74.032707ISI: 000241067100078Scopus ID: 2-s2.0-33748923811OAI: oai:DiVA.org:kth-37625DiVA: diva2:434774
Note
QC 20110816Available from: 2011-08-16 Created: 2011-08-15 Last updated: 2017-12-08Bibliographically approved

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